Ligand name: 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid
PDB ligand accession: 161
DrugBank: DB03124
PubChem: 5287429
ChEMBL: n/a
InChI Key: LBAHOXPDTNUYCX-INIZCTEOSA-N
SMILES: [H][C@@](CC(O)=O)(NC(=O)C1=CC=C(CNS(=O)(=O)C2=CC(C(O)=O)=C(O)C=C2)C=C1)C(C)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P42574

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
CYS	163	Glutathionylation		PyMOL_RFAA
CYS	163	S-nitrosylation		PyMOL_RFAA
LYS	260	Ubiquitination
MET	182	Sulfoxidation		PyMOL_RFAA